5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(3-hydroxypropyl)-1-phenylpyrazole-3-carboxamide

C25H21Cl2N5O3 — CID 118497159

IUPAC5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(3-hydroxypropyl)-1-phenylpyrazole-3-carboxamide
SMILESO=C(NCCCO)c1cc(NC(=O)c2cc(-c3ccccn3)c(Cl)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C25H21Cl2N5O3/c26-19-14-20(27)18(13-17(19)21-9-4-5-10-28-21)24(34)30-23-15-22(25(35)29-11-6-12-33)31-32(23)16-7-2-1-3-8-16/h1-5,7-10,13-15,33H,6,11-12H2,(H,29,35)(H,30,34)
InChIKeyCKSVSZHBACAEOX-UHFFFAOYSA-N
MW510.38 g/mol
LogP4.61
Rot. Bonds8

About 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(3-hydroxypropyl)-1-phenylpyrazole-3-carboxamide

5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(3-hydroxypropyl)-1-phenylpyrazole-3-carboxamide (PubChem CID 118497159) has the molecular formula C25H21Cl2N5O3 and a molecular weight of 510.38 g/mol. Its IUPAC name is 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(3-hydroxypropyl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(3-hydroxypropyl)-1-phenylpyrazole-3-carboxamide
PubChem CID118497159
Molecular FormulaC25H21Cl2N5O3
Molecular Weight510.38 g/mol
Exact Mass509.10
IUPAC Name5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(3-hydroxypropyl)-1-phenylpyrazole-3-carboxamide
SMILESO=C(NCCCO)c1cc(NC(=O)c2cc(-c3ccccn3)c(Cl)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C25H21Cl2N5O3/c26-19-14-20(27)18(13-17(19)21-9-4-5-10-28-21)24(34)30-23-15-22(25(35)29-11-6-12-33)31-32(23)16-7-2-1-3-8-16/h1-5,7-10,13-15,33H,6,11-12H2,(H,29,35)(H,30,34)
InChIKeyCKSVSZHBACAEOX-UHFFFAOYSA-N
XLogP4.61
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.38
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(3-hydroxypropyl)-1-phenylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(3-hydroxypropyl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(3-hydroxypropyl)-1-phenylpyrazole-3-carboxamide (CID 118497159) is 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(3-hydroxypropyl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(3-hydroxypropyl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(3-hydroxypropyl)-1-phenylpyrazole-3-carboxamide is O=C(NCCCO)c1cc(NC(=O)c2cc(-c3ccccn3)c(Cl)cc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(3-hydroxypropyl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is CKSVSZHBACAEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N5O3/c26-19-14-20(27)18(13-17(19)21-9-4-5-10-28-21)24(34)30-23-15-22(25(35)29-11-6-12-33)31-32(23)16-7-2-1-3-8-16/h1-5,7-10,13-15,33H,6,11-12H2,(H,29,35)(H,30,34).
What are the key properties of 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(3-hydroxypropyl)-1-phenylpyrazole-3-carboxamide?
5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(3-hydroxypropyl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 510.38 g/mol, XLogP of 4.61, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(3-hydroxypropyl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 118497159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).